2 papers
cond-mat.mtrl-sci2026
Diffusion coefficients of multi-principal element alloys from first principles
Damien K. J. Lee, Anirudh Raju Natarajan
Vacancy-mediated diffusion in multi-principal element alloys (MPEAs) remains poorly understood. Existing computational methods face challenges in connecting electronic structure to…
cond-mat.mtrl-sci2025
Modeling the Equilibrium Vacancy Concentration in Multi-Principal Element Alloys from First-Principles
Damien K. J. Lee, Yann L. Müller, Anirudh Raju Natarajan
Multi-principal element alloys (MPEAs), also known as high-entropy alloys, have garnered significant interest across many applications due to their exceptional properties. Equilibr…